N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C18H16F3NO4S2 — CID 121133584

IUPACN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C(O)c2ccco2)s1
InChIInChI=1S/C18H16F3NO4S2/c19-18(20,21)13-5-3-12(4-6-13)11-28(24,25)22-10-14-7-8-16(27-14)17(23)15-2-1-9-26-15/h1-9,17,22-23H,10-11H2
InChIKeyHFMTZNDYACAVPZ-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.06
Rot. Bonds7

About N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 121133584) has the molecular formula C18H16F3NO4S2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID121133584
Molecular FormulaC18H16F3NO4S2
Molecular Weight431.46 g/mol
Exact Mass431.05
IUPAC NameN-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C(O)c2ccco2)s1
InChIInChI=1S/C18H16F3NO4S2/c19-18(20,21)13-5-3-12(4-6-13)11-28(24,25)22-10-14-7-8-16(27-14)17(23)15-2-1-9-26-15/h1-9,17,22-23H,10-11H2
InChIKeyHFMTZNDYACAVPZ-UHFFFAOYSA-N
XLogP4.06
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 121133584) is N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCc1ccc(C(O)c2ccco2)s1.
What is the InChIKey of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is HFMTZNDYACAVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4S2/c19-18(20,21)13-5-3-12(4-6-13)11-28(24,25)22-10-14-7-8-16(27-14)17(23)15-2-1-9-26-15/h1-9,17,22-23H,10-11H2.
What are the key properties of N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 431.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 121133584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).